N-benzyl-3,5-ditert-butylbenzamide

C22H29NO — CID 11267280

IUPACN-benzyl-3,5-ditert-butylbenzamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C22H29NO/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)20(24)23-15-16-10-8-7-9-11-16/h7-14H,15H2,1-6H3,(H,23,24)
InChIKeyGRXSUFMOMOYDMH-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.21
Rot. Bonds3

About N-benzyl-3,5-ditert-butylbenzamide

N-benzyl-3,5-ditert-butylbenzamide (PubChem CID 11267280) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N-benzyl-3,5-ditert-butylbenzamide.

Molecular Properties

Compound NameN-benzyl-3,5-ditert-butylbenzamide
PubChem CID11267280
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN-benzyl-3,5-ditert-butylbenzamide
SMILESCC(C)(C)c1cc(C(=O)NCc2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C22H29NO/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)20(24)23-15-16-10-8-7-9-11-16/h7-14H,15H2,1-6H3,(H,23,24)
InChIKeyGRXSUFMOMOYDMH-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
N-[(1-benzylpyridin-1-ium-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide bromide
CID 11678014
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-benzyl-3,5-dinitrobenzamide
CID 4296325
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
4-(benzamidomethyl)benzoic acid
CID 10879683

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-ditert-butylbenzamide?
The IUPAC name of N-benzyl-3,5-ditert-butylbenzamide (CID 11267280) is N-benzyl-3,5-ditert-butylbenzamide.
What is the SMILES notation for N-benzyl-3,5-ditert-butylbenzamide?
The canonical SMILES for N-benzyl-3,5-ditert-butylbenzamide is CC(C)(C)c1cc(C(=O)NCc2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of N-benzyl-3,5-ditert-butylbenzamide?
The InChIKey is GRXSUFMOMOYDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)20(24)23-15-16-10-8-7-9-11-16/h7-14H,15H2,1-6H3,(H,23,24).
What are the key properties of N-benzyl-3,5-ditert-butylbenzamide?
N-benzyl-3,5-ditert-butylbenzamide has a molecular weight of 323.48 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-ditert-butylbenzamide is sourced from PubChem (CID 11267280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).